SCHEMBL3153146

SCHEMBL3153146

O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 1.00
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1F P30939 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3147704 0.92 HTR6 (1.00) HTR6HTR1DHTR1BHTR7HTR1A
SCHEMBL3156785 0.89 HTR6 (0.79) HTR6
SCHEMBL5656829 0.86 HTR6 (0.76) HTR6HTR1DHTR1BHTR7HTR1A
SCHEMBL4969882 0.86 HTR6 (0.76) HTR6HTR1DHTR1BHTR7HTR2A
SCHEMBL3147744 0.85 HTR6 (1.00) HTR6
SCHEMBL4968803 0.84 HTR6 (0.84) HTR6HTR1DHTR1BHTR7
SCHEMBL3142976 0.83 HTR6 (0.79) HTR6
SCHEMBL13333255 0.81 HTR6 (0.76) HTR6HTR1DHTR1BHTR7HTR1A
Morpholine SCHEMBL27771009 0.81 HTR6 (0.69) HTR6HTR1DHTR1BHTR7HTR1A
Biphenyl SCHEMBL4968404 0.80 HTR6 (0.67) HTR6HTR1DHTR1BHTR7HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081600-B1 Combination of the NMDA- receptor ligand memantine and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2012-12-05 EP claimed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
EP-1666462-B1 N-[1H-INDOL-5-YL]NAPHTHALENE-1-SULPHONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM ESTEVE LABOR DR (ES) 2009-04-15 EP claimed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP claimed
WO-2009013010-A2 5HT6-LIGANDS SUCH AS SULFONAMIDE DERIVATIVES IN DRUG- INDUCED WEIGHT-GAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-29 WO claimed
EP-2018861-A1 5HT6-Ligands such as sulfonamide derivatives in drug-induced weight-gain Laboratorios del Dr. Esteve S.A. (ES) 2009-01-28 EP claimed
CN-100441180-C Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2008-12-10 CN claimed
EP-1626715-B1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION ESTEVE LABOR DR (ES) 2008-09-10 EP claimed
US-7176200-B2 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-02-13 US claimed
JP-2006525972-A 2006-11-16 JP claimed
CN-1271052-C Sulfonamide derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2006-08-23 CN claimed
CN-1816334-A Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2006-08-09 CN claimed
EP-1666462-A1 N-[1H-INDOL-5-YL]NAPHTHALENE-1-SULPHONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-07 EP claimed
EP-1626715-A1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-22 EP claimed
US-20050065202-A1 Use of sulphonamide derivatives for the manufacture of a medicament for the prophylaxis and/or treatment of disorders of food ingestion LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-03-24 US claimed
CN-1599718-A Sulphonamide derivatives, the preparation thereof and the application of same as medicaments ESTEVE LABOR DR (ES) 2005-03-23 CN claimed
WO-2004098588-A1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2004-11-18 WO claimed
EP-1445252-A1 SULPHONAMIDE DERIVATIVES, THE PREPARATION THEREOF AND THE APPLICATION OF SAME AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-08-11 EP claimed
US-20030191124-A1 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-10-09 US claimed
EP-2081600-B1 Combination of the NMDA- receptor ligand memantine and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2012-12-05 EP disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US disclosed
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN disclosed
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN disclosed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
EP-1666462-B1 N-[1H-INDOL-5-YL]NAPHTHALENE-1-SULPHONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM ESTEVE LABOR DR (ES) 2009-04-15 EP disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP disclosed
US-7498328-B2 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIAS DEL DR. ESTEVE, S.A. (ES) 2009-03-03 US disclosed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP disclosed
WO-2009013010-A2 5HT6-LIGANDS SUCH AS SULFONAMIDE DERIVATIVES IN DRUG- INDUCED WEIGHT-GAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-29 WO disclosed
EP-2018861-A1 5HT6-Ligands such as sulfonamide derivatives in drug-induced weight-gain Laboratorios del Dr. Esteve S.A. (ES) 2009-01-28 EP disclosed
CN-100441180-C Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2008-12-10 CN disclosed
US-7452881-B2 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-18 US disclosed
EP-1648468-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2008-09-24 EP disclosed
EP-1626715-B1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION ESTEVE LABOR DR (ES) 2008-09-10 EP disclosed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO disclosed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
US-20070167448-A1 Such as N-[3-(2-diethylaminoethyl)-1H-indol-5-yl]-5-chloro-3-methylbenzo[b]thiophene-2-sulphonamide; serotonin receptors antagonist; anxiolytic, antidepressant, cognitive activator, senile dementia, psychosis, attention deficit/hyperactivity disorder MERCE-VIDAL RAMON 2007-07-19 US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-7176200-B2 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-02-13 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US disclosed
US-20060258653-A1 Derivatives of sulphonamides, their preparation and use as medicaments MERCE-VIDAL RAMON 2006-11-16 US disclosed
US-7105515-B2 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-09-12 US disclosed
CN-1271052-C Sulfonamide derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2006-08-23 CN disclosed
CN-1816334-A Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2006-08-09 CN disclosed
EP-1666462-A1 N-[1H-INDOL-5-YL]NAPHTHALENE-1-SULPHONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-07 EP disclosed
EP-1660131-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-31 EP disclosed
EP-1648468-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
EP-1626715-A1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-22 EP disclosed
US-20050065202-A1 Use of sulphonamide derivatives for the manufacture of a medicament for the prophylaxis and/or treatment of disorders of food ingestion LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-03-24 US disclosed
CN-1599718-A Sulphonamide derivatives, the preparation thereof and the application of same as medicaments ESTEVE LABOR DR (ES) 2005-03-23 CN disclosed
WO-2005014000-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO disclosed
US-20050032791-A1 Such as N-[3-(2-diethylaminoethyl)-1H-indol-5-yl]-5-chloro-3-methylbenzo[b]thiophene-2-sulphonamide for treating anxiety, depression, cognitive memory disorders and senile dementia, psychosis, infant hyperkinesia (ADHD, attention deficit/hyperactivity disorder) MERC-VIDAL RAMON (ES) 2005-02-10 US disclosed
WO-2004098588-A1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2004-11-18 WO disclosed
EP-1445252-A1 SULPHONAMIDE DERIVATIVES, THE PREPARATION THEREOF AND THE APPLICATION OF SAME AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-08-11 EP disclosed
US-20030191124-A1 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-10-09 US disclosed
US-20030191124-A1 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-10-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050065202-A1 Use of sulphonamide derivatives for the manufacture of a medicament for the prophylaxis and/or treatment of disorders of food ingestion SULT2A1, STS, MPST HTR6 886/4885HTR1D 908/4885HTR1B 834/4885
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR6 1/4885HTR1D 50/4885HTR1B 14/4885
US-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 HTR6 1/4885HTR1D 19/4885HTR1B 7/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885HTR1D 27/4885HTR1B 10/4885
US-20070167448-A1 Such as N-[3-(2-diethylaminoethyl)-1H-indol-5-yl]-5-chloro-3-methylbenzo[b]thiophene-2-sulphonamide; serotonin receptors antagonist; anxiolytic, antidepressant, cognitive activator, senile dementia, psychosis, attention deficit/hyperactivity disorder HTR1A, HTR6, HTR4 HTR6 2/4885HTR1D 17/4885HTR1B 9/4885
US-20050032791-A1 Such as N-[3-(2-diethylaminoethyl)-1H-indol-5-yl]-5-chloro-3-methylbenzo[b]thiophene-2-sulphonamide for treating anxiety, depression, cognitive memory disorders and senile dementia, psychosis, infant hyperkinesia (ADHD, attention deficit/hyperactivity disorder) CHAT, SLC6A3, PSEN2 HTR6 10/4885HTR1D 80/4885HTR1B 24/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885HTR1D 50/4885HTR1B 14/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885HTR1D 46/4885HTR1B 27/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR6 2/4885HTR1D 69/4885HTR1B 22/4885
US-20060258653-A1 Derivatives of sulphonamides, their preparation and use as medicaments STS, SULT2A1, MPST HTR6 3170/4885HTR1D 3432/4885HTR1B 3426/4885
US-20030191124-A1 Derivatives of sulphonamides, their preparation and use as medicaments STS, SULT2A1, MPST HTR6 3229/4885HTR1D 3037/4885HTR1B 3294/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.